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BioLiP

PDB CCD ID: UAN
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N5 O
InChI: InChI=1S/C7H9N5O/c1-8-7-10-5-4(6(13)11-7)9-3-12(5)2/h3H,1-2H3,(H2,8,10,11,13)
InChIKey: VUUPVSDSPZJFFN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CNC1=Nc2c(ncn2C)C(=O)N1
CACTVS 3.385CNC1=Nc2n(C)cnc2C(=O)N1
Name:9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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